Home Halogens 4-chloro-5-fluoro-1H-indole-2-carboxylic acid

4-chloro-5-fluoro-1H-indole-2-carboxylic acid

CAS No.:
169674-08-2
Catalog Number:
AG01E8N7
Molecular Formula:
C9H5ClFNO2
Molecular Weight:
213.5929
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Product Description
Catalog Number:
AG01E8N7
Chemical Name:
4-chloro-5-fluoro-1H-indole-2-carboxylic acid
CAS Number:
169674-08-2
Molecular Formula:
C9H5ClFNO2
Molecular Weight:
213.5929
MDL Number:
MFCD24495697
IUPAC Name:
4-chloro-5-fluoro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H5ClFNO2/c10-8-4-3-7(9(13)14)12-6(4)2-1-5(8)11/h1-3,12H,(H,13,14)
InChI Key:
VPXADRLFOWLPHM-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)ccc(c2Cl)F
Properties
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.999g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
213.592g/mol
Monoisotopic Mass:
212.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties